2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile

C15H20N2O — CID 63027618

IUPAC2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
SMILESCNC(C#N)CCOC1CCCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-17-13(11-16)9-10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,17H,4,6,8-10H2,1H3
InChIKeyKYGXZSHONCQQDV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile

2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile (PubChem CID 63027618) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
PubChem CID63027618
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile
SMILESCNC(C#N)CCOC1CCCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-17-13(11-16)9-10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,17H,4,6,8-10H2,1H3
InChIKeyKYGXZSHONCQQDV-UHFFFAOYSA-N
XLogP2.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile?
The IUPAC name of 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile (CID 63027618) is 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile.
What is the SMILES notation for 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile?
The canonical SMILES for 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile is CNC(C#N)CCOC1CCCc2ccccc21.
What is the InChIKey of 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile?
The InChIKey is KYGXZSHONCQQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-13(11-16)9-10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,17H,4,6,8-10H2,1H3.
What are the key properties of 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile?
2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanenitrile is sourced from PubChem (CID 63027618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).